SCHEMBL13450342

SCHEMBL13450342

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C(c1ccccc1)C1CCCC1)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.45
▸ NPY1R P25929 9/20 0.45
▸ NPY5R Q15761 7/20 0.45
▸ NPY2R P49146 5/20 0.45
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ FCER2 P06734 1/20 0.42
▸ TACR2 P21452 1/20 0.41
▸ QRFPR Q96P65 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13449162 0.90 TP53 (0.46) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL13449160 0.84 NPY4R (0.60) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31074734 0.83 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL31074830 0.83 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29534175 0.83 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL4653101 0.82 NPY1R (0.54) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30437446 0.82 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL13448837 0.82 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7592909 0.82 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R
SCHEMBL7592903 0.82 NPY4R (0.53) NPY4RNPY1RNPY5RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831243-B1 ANTIBODY BINDING AFFINITY LIGANDS NOVO NORDISK AS (DK) 2010-03-17 — — EP disclosed
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